N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine

C27H35N5O2 — CID 71738605

IUPACN-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCCCC3)nc(NC3CCCN(Cc4ccccc4)C3)c2cc1OC
InChIInChI=1S/C27H35N5O2/c1-33-24-16-22-23(17-25(24)34-2)29-27(32-14-7-4-8-15-32)30-26(22)28-21-12-9-13-31(19-21)18-20-10-5-3-6-11-20/h3,5-6,10-11,16-17,21H,4,7-9,12-15,18-19H2,1-2H3,(H,28,29,30)
InChIKeyOTUPPSYFLGZFSB-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.71
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine

N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 71738605) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
PubChem CID71738605
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCCCC3)nc(NC3CCCN(Cc4ccccc4)C3)c2cc1OC
InChIInChI=1S/C27H35N5O2/c1-33-24-16-22-23(17-25(24)34-2)29-27(32-14-7-4-8-15-32)30-26(22)28-21-12-9-13-31(19-21)18-20-10-5-3-6-11-20/h3,5-6,10-11,16-17,21H,4,7-9,12-15,18-19H2,1-2H3,(H,28,29,30)
InChIKeyOTUPPSYFLGZFSB-UHFFFAOYSA-N
XLogP4.71
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
2-(4-benzyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 53315859
cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
CID 158200899
2-(azepan-1-yl)-4-(1-benzylpiperidin-4-yl)oxy-6,7-dimethoxyquinazoline
CID 71737955
4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680
8-[4-[4-[(1-benzylpiperidin-4-yl)amino]-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 155564436
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
tert-butyl (3R)-3-[(6-methoxy-7-prop-2-ynoxy-2-pyrrolidin-1-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 137390224
6-methoxy-2-(4-propan-2-yl-1,4-diazepan-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 53315861

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine (CID 71738605) is N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine is COc1cc2nc(N3CCCCC3)nc(NC3CCCN(Cc4ccccc4)C3)c2cc1OC.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is OTUPPSYFLGZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-33-24-16-22-23(17-25(24)34-2)29-27(32-14-7-4-8-15-32)30-26(22)28-21-12-9-13-31(19-21)18-20-10-5-3-6-11-20/h3,5-6,10-11,16-17,21H,4,7-9,12-15,18-19H2,1-2H3,(H,28,29,30).
What are the key properties of N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 461.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 71738605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).