6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C18H22BrClN4O — CID 118475298

IUPAC6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESClc1nc(NC2CCC(N3CCOCC3)CC2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H22BrClN4O/c19-12-1-6-16-15(11-12)17(23-18(20)22-16)21-13-2-4-14(5-3-13)24-7-9-25-10-8-24/h1,6,11,13-14H,2-5,7-10H2,(H,21,22,23)
InChIKeyVHKNRBIKVITTFO-UHFFFAOYSA-N
MW425.76 g/mol
LogP4.10
Rot. Bonds3

About 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 118475298) has the molecular formula C18H22BrClN4O and a molecular weight of 425.76 g/mol. Its IUPAC name is 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID118475298
Molecular FormulaC18H22BrClN4O
Molecular Weight425.76 g/mol
Exact Mass424.07
IUPAC Name6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESClc1nc(NC2CCC(N3CCOCC3)CC2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H22BrClN4O/c19-12-1-6-16-15(11-12)17(23-18(20)22-16)21-13-2-4-14(5-3-13)24-7-9-25-10-8-24/h1,6,11,13-14H,2-5,7-10H2,(H,21,22,23)
InChIKeyVHKNRBIKVITTFO-UHFFFAOYSA-N
XLogP4.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[[6-bromo-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-2-yl]amino]pyrazol-1-yl]ethoxy]ethanol
CID 118475366
2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
CID 114693340
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
6-bromo-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381158
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
7-bromo-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;N-(4-morpholin-4-ylcyclohexyl)-7-pyridin-4-yl-9H-pyrimido[4,5-b]indol-4-amine
CID 163566539
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 118475298) is 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Clc1nc(NC2CCC(N3CCOCC3)CC2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is VHKNRBIKVITTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrClN4O/c19-12-1-6-16-15(11-12)17(23-18(20)22-16)21-13-2-4-14(5-3-13)24-7-9-25-10-8-24/h1,6,11,13-14H,2-5,7-10H2,(H,21,22,23).
What are the key properties of 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 425.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 118475298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).