1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

C24H24N6O3 — CID 155206353

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1
InChIInChI=1S/C24H24N6O3/c1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16/h4-13,15H,14H2,1-3H3,(H2,26,29,31)
InChIKeyBQRHGQMIXCBRQP-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.21
Rot. Bonds7

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (PubChem CID 155206353) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
PubChem CID155206353
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1
InChIInChI=1S/C24H24N6O3/c1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16/h4-13,15H,14H2,1-3H3,(H2,26,29,31)
InChIKeyBQRHGQMIXCBRQP-UHFFFAOYSA-N
XLogP4.21
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

Cp-724714
CID 9874913
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
Vuf5574
CID 4046493
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329049
2-Aminoquinazoline 14
CID 5330312
2-Aminoquinazoline 13
CID 5330330
PDGF Receptor Tyrosine Kinase Inhibitor III
CID 10907042

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (CID 155206353) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is BQRHGQMIXCBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16/h4-13,15H,14H2,1-3H3,(H2,26,29,31).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 444.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 155206353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).