7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C24H29FN6O — CID 130446931

IUPAC7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCNc1cncc(-c2cc3c(NC4CCC(N5CCOCC5)CC4)ncnc3cc2F)c1
InChIInChI=1S/C24H29FN6O/c1-26-18-10-16(13-27-14-18)20-11-21-23(12-22(20)25)28-15-29-24(21)30-17-2-4-19(5-3-17)31-6-8-32-9-7-31/h10-15,17,19,26H,2-9H2,1H3,(H,28,29,30)
InChIKeyHQFJWBAVTNEYNA-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.93
Rot. Bonds5

About 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446931) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446931
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCNc1cncc(-c2cc3c(NC4CCC(N5CCOCC5)CC4)ncnc3cc2F)c1
InChIInChI=1S/C24H29FN6O/c1-26-18-10-16(13-27-14-18)20-11-21-23(12-22(20)25)28-15-29-24(21)30-17-2-4-19(5-3-17)31-6-8-32-9-7-31/h10-15,17,19,26H,2-9H2,1H3,(H,28,29,30)
InChIKeyHQFJWBAVTNEYNA-UHFFFAOYSA-N
XLogP3.93
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
CID 130446899
6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 162067741
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
3-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]cyclohex-3-en-1-one
CID 130236172
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
7-chloro-6-(5-fluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;4-ethyl-3-[4-[(4-morpholin-4-ylcyclohexyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]-1H-1,2,4-triazol-5-one;7-fluoro-6-(5-fluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;4-(5-fluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 163761482

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446931) is 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is CNc1cncc(-c2cc3c(NC4CCC(N5CCOCC5)CC4)ncnc3cc2F)c1.
What is the InChIKey of 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is HQFJWBAVTNEYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-26-18-10-16(13-27-14-18)20-11-21-23(12-22(20)25)28-15-29-24(21)30-17-2-4-19(5-3-17)31-6-8-32-9-7-31/h10-15,17,19,26H,2-9H2,1H3,(H,28,29,30).
What are the key properties of 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 436.54 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).