2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine

C16H22ClN3 — CID 22693267

IUPAC2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
SMILESCC(C)CN(CC(C)C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H22ClN3/c1-11(2)9-20(10-12(3)4)15-13-7-5-6-8-14(13)18-16(17)19-15/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRGJWFGWMWXYTOA-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.40
Rot. Bonds5

About 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine

2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine (PubChem CID 22693267) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
PubChem CID22693267
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
SMILESCC(C)CN(CC(C)C)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H22ClN3/c1-11(2)9-20(10-12(3)4)15-13-7-5-6-8-14(13)18-16(17)19-15/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRGJWFGWMWXYTOA-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine (CID 22693267) is 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine is CC(C)CN(CC(C)C)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine?
The InChIKey is RGJWFGWMWXYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11(2)9-20(10-12(3)4)15-13-7-5-6-8-14(13)18-16(17)19-15/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine?
2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine has a molecular weight of 291.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine is sourced from PubChem (CID 22693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).