6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine

C38H52N10O4 — CID 146669687

IUPAC6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(COc4cc5nc(N6CCCC6)nc(N[C@@H]6CCCNC6)c5cc4OC)C3)nc(N[C@H]3CCCNC3)c2cc1OC
InChIInChI=1S/C38H52N10O4/c1-49-31-16-27-29(18-33(31)51-3)44-38(46-36(27)42-26-9-7-12-40-21-26)48-15-10-24(22-48)23-52-34-19-30-28(17-32(34)50-2)35(41-25-8-6-11-39-20-25)45-37(43-30)47-13-4-5-14-47/h16-19,24-26,39-40H,4-15,20-23H2,1-3H3,(H,41,43,45)(H,42,44,46)/t24?,25-,26+/m1/s1
InChIKeyJODXHVJMSFBFHT-KBEVGPIXSA-N
MW712.90 g/mol
LogP4.43
Rot. Bonds12

About 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine

6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine (PubChem CID 146669687) has the molecular formula C38H52N10O4 and a molecular weight of 712.90 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine
PubChem CID146669687
Molecular FormulaC38H52N10O4
Molecular Weight712.90 g/mol
Exact Mass712.42
IUPAC Name6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(COc4cc5nc(N6CCCC6)nc(N[C@@H]6CCCNC6)c5cc4OC)C3)nc(N[C@H]3CCCNC3)c2cc1OC
InChIInChI=1S/C38H52N10O4/c1-49-31-16-27-29(18-33(31)51-3)44-38(46-36(27)42-26-9-7-12-40-21-26)48-15-10-24(22-48)23-52-34-19-30-28(17-32(34)50-2)35(41-25-8-6-11-39-20-25)45-37(43-30)47-13-4-5-14-47/h16-19,24-26,39-40H,4-15,20-23H2,1-3H3,(H,41,43,45)(H,42,44,46)/t24?,25-,26+/m1/s1
InChIKeyJODXHVJMSFBFHT-KBEVGPIXSA-N
XLogP4.43
TPSA143.08 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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CID 3038522
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
1-Piperazinecarbothioamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061449
1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
CID 616293
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-bis(2-methoxyethoxy)quinazoline
CID 117620118
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
Unc0379
CID 78357767
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine (CID 146669687) is 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine is COc1cc2nc(N3CCC(COc4cc5nc(N6CCCC6)nc(N[C@@H]6CCCNC6)c5cc4OC)C3)nc(N[C@H]3CCCNC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine?
The InChIKey is JODXHVJMSFBFHT-KBEVGPIXSA-N. The full InChI is InChI=1S/C38H52N10O4/c1-49-31-16-27-29(18-33(31)51-3)44-38(46-36(27)42-26-9-7-12-40-21-26)48-15-10-24(22-48)23-52-34-19-30-28(17-32(34)50-2)35(41-25-8-6-11-39-20-25)45-37(43-30)47-13-4-5-14-47/h16-19,24-26,39-40H,4-15,20-23H2,1-3H3,(H,41,43,45)(H,42,44,46)/t24?,25-,26+/m1/s1.
What are the key properties of 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine?
6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine has a molecular weight of 712.90 g/mol, XLogP of 4.43, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[3-[[6-methoxy-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-ylquinazolin-7-yl]oxymethyl]pyrrolidin-1-yl]-N-[(3S)-piperidin-3-yl]quinazolin-4-amine is sourced from PubChem (CID 146669687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).