6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine

C24H28N6O — CID 163665863

IUPAC6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cc[nH]c3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C24H28N6O/c1-31-22-16-20-21(15-18(22)7-6-12-29-10-2-3-11-29)27-24(30-13-4-5-14-30)28-23(20)26-19-8-9-25-17-19/h8-9,15-17,25H,2-5,10-14H2,1H3,(H,26,27,28)
InChIKeyRMNWILGCGCLNAC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.76
Rot. Bonds5

About 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine

6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine (PubChem CID 163665863) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine
PubChem CID163665863
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cc[nH]c3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1
InChIInChI=1S/C24H28N6O/c1-31-22-16-20-21(15-18(22)7-6-12-29-10-2-3-11-29)27-24(30-13-4-5-14-30)28-23(20)26-19-8-9-25-17-19/h8-9,15-17,25H,2-5,10-14H2,1H3,(H,26,27,28)
InChIKeyRMNWILGCGCLNAC-UHFFFAOYSA-N
XLogP3.76
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-1-yl)-N-(1,1-dioxothian-4-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163855179
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163840788
6-methoxy-N-(oxan-3-yl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163722458
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 165146419
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 165146468
N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]-5-methyl-1,3-oxazol-2-amine
CID 165146437
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(thian-4-yl)quinazolin-4-amine
CID 169082820
N-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(4-pyrrolidin-1-ylbut-1-ynyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162761754
6-methoxy-2-piperidin-1-yl-7-(4-piperidin-1-ylbut-1-ynyl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 162761687
amino N-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]carbamate;6-methoxy-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-pyridin-2-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-pyridin-3-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;6-methoxy-N-pyridin-4-yl-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
CID 163571340
6-methoxy-2-(4-methylpiperazin-1-yl)-7-(4-piperidin-1-ylbut-1-ynyl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 162761648
N-cyclohexyl-7-[4-(dimethylamino)but-1-ynyl]-6-methoxy-2-piperidin-1-ylquinazolin-4-amine
CID 162761751

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine (CID 163665863) is 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine is COc1cc2c(Nc3cc[nH]c3)nc(N3CCCC3)nc2cc1C#CCN1CCCC1.
What is the InChIKey of 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine?
The InChIKey is RMNWILGCGCLNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-31-22-16-20-21(15-18(22)7-6-12-29-10-2-3-11-29)27-24(30-13-4-5-14-30)28-23(20)26-19-8-9-25-17-19/h8-9,15-17,25H,2-5,10-14H2,1H3,(H,26,27,28).
What are the key properties of 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine?
6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine has a molecular weight of 416.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(1H-pyrrol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 163665863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).