N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine

C24H29N5 — CID 166369531

IUPACN-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine
SMILESc1ccc(CNc2nc(N3CCCCC4(CCNC4)C3)nc3ccccc23)cc1
InChIInChI=1S/C24H29N5/c1-2-8-19(9-3-1)16-26-22-20-10-4-5-11-21(20)27-23(28-22)29-15-7-6-12-24(18-29)13-14-25-17-24/h1-5,8-11,25H,6-7,12-18H2,(H,26,27,28)
InChIKeyBTCZXJFCGQGPBE-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.21
Rot. Bonds4

About N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine

N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine (PubChem CID 166369531) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine
PubChem CID166369531
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine
SMILESc1ccc(CNc2nc(N3CCCCC4(CCNC4)C3)nc3ccccc23)cc1
InChIInChI=1S/C24H29N5/c1-2-8-19(9-3-1)16-26-22-20-10-4-5-11-21(20)27-23(28-22)29-15-7-6-12-24(18-29)13-14-25-17-24/h1-5,8-11,25H,6-7,12-18H2,(H,26,27,28)
InChIKeyBTCZXJFCGQGPBE-UHFFFAOYSA-N
XLogP4.21
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine (CID 166369531) is N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine is c1ccc(CNc2nc(N3CCCCC4(CCNC4)C3)nc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine?
The InChIKey is BTCZXJFCGQGPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-2-8-19(9-3-1)16-26-22-20-10-4-5-11-21(20)27-23(28-22)29-15-7-6-12-24(18-29)13-14-25-17-24/h1-5,8-11,25H,6-7,12-18H2,(H,26,27,28).
What are the key properties of N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine?
N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine is sourced from PubChem (CID 166369531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).