1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol

C25H37N5O3 — CID 163722459

IUPAC1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
SMILESCOc1cc2c(N3CCCCC3O)nc(N3CCCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C25H37N5O3/c1-32-21-17-19-20(18-22(21)33-16-8-12-28-10-4-5-11-28)26-25(29-13-6-7-14-29)27-24(19)30-15-3-2-9-23(30)31/h17-18,23,31H,2-16H2,1H3
InChIKeyDEQLPRHCNJRZCP-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.41
Rot. Bonds8

About 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol

1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol (PubChem CID 163722459) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol.

Molecular Properties

Compound Name1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
PubChem CID163722459
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Name1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
SMILESCOc1cc2c(N3CCCCC3O)nc(N3CCCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C25H37N5O3/c1-32-21-17-19-20(18-22(21)33-16-8-12-28-10-4-5-11-28)26-25(29-13-6-7-14-29)27-24(19)30-15-3-2-9-23(30)31/h17-18,23,31H,2-16H2,1H3
InChIKeyDEQLPRHCNJRZCP-UHFFFAOYSA-N
XLogP3.41
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163609825
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
N-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 53315872
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
N-(1,1-dioxothian-4-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163809675
4-(2-cyclopentylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 175794827
4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine
CID 130454693
N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 53315882
9-methoxy-2,5-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 135155398
6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714452
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-piperazin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146367
2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]acetonitrile
CID 163826836

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol?
The IUPAC name of 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol (CID 163722459) is 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol.
What is the SMILES notation for 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol?
The canonical SMILES for 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol is COc1cc2c(N3CCCCC3O)nc(N3CCCC3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol?
The InChIKey is DEQLPRHCNJRZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-32-21-17-19-20(18-22(21)33-16-8-12-28-10-4-5-11-28)26-25(29-13-6-7-14-29)27-24(19)30-15-3-2-9-23(30)31/h17-18,23,31H,2-16H2,1H3.
What are the key properties of 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol?
1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol has a molecular weight of 455.60 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol is sourced from PubChem (CID 163722459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).