4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine

C24H37N5O2 — CID 145385512

IUPAC4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
SMILESCNc1nc(C2CCN(C)[C@@H](C)C2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
InChIInChI=1S/C24H37N5O2/c1-17-14-18(8-12-28(17)3)23-19-15-21(30-4)22(16-20(19)26-24(25-2)27-23)31-13-7-11-29-9-5-6-10-29/h15-18H,5-14H2,1-4H3,(H,25,26,27)/t17-,18?/m0/s1
InChIKeyPKHZEQUVCRSLLZ-ZENAZSQFSA-N
MW427.59 g/mol
LogP3.74
Rot. Bonds8

About 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine

4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine (PubChem CID 145385512) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
PubChem CID145385512
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
SMILESCNc1nc(C2CCN(C)[C@@H](C)C2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
InChIInChI=1S/C24H37N5O2/c1-17-14-18(8-12-28(17)3)23-19-15-21(30-4)22(16-20(19)26-24(25-2)27-23)31-13-7-11-29-9-5-6-10-29/h15-18H,5-14H2,1-4H3,(H,25,26,27)/t17-,18?/m0/s1
InChIKeyPKHZEQUVCRSLLZ-ZENAZSQFSA-N
XLogP3.74
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorocyclohexyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135185179
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
9-methoxy-2,5-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 135155398
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 155298311
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
(1S,3S)-8-methoxy-1,3-dimethyl-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135185166
[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
CID 137479092
1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163722459
2-cyclohexyl-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 171735620
8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 162054234
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
The IUPAC name of 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine (CID 145385512) is 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine.
What is the SMILES notation for 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
The canonical SMILES for 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine is CNc1nc(C2CCN(C)[C@@H](C)C2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.
What is the InChIKey of 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
The InChIKey is PKHZEQUVCRSLLZ-ZENAZSQFSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-17-14-18(8-12-28(17)3)23-19-15-21(30-4)22(16-20(19)26-24(25-2)27-23)31-13-7-11-29-9-5-6-10-29/h15-18H,5-14H2,1-4H3,(H,25,26,27)/t17-,18?/m0/s1.
What are the key properties of 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine?
4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine has a molecular weight of 427.59 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,2-dimethylpiperidin-4-yl]-6-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine is sourced from PubChem (CID 145385512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).