N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine

C22H21ClFN3O4 — CID 24743956

IUPACN-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2cc(OC3CCOC3)c(OC3CCOC3)cc12
InChIInChI=1S/C22H21ClFN3O4/c23-16-2-1-3-17(21(16)24)27-22-15-8-19(30-13-4-6-28-10-13)20(9-18(15)25-12-26-22)31-14-5-7-29-11-14/h1-3,8-9,12-14H,4-7,10-11H2,(H,25,26,27)
InChIKeyAQCNXMWPACKDNB-UHFFFAOYSA-N
MW445.88 g/mol
LogP4.50
Rot. Bonds6

About N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine

N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine (PubChem CID 24743956) has the molecular formula C22H21ClFN3O4 and a molecular weight of 445.88 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
PubChem CID24743956
Molecular FormulaC22H21ClFN3O4
Molecular Weight445.88 g/mol
Exact Mass445.12
IUPAC NameN-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2cc(OC3CCOC3)c(OC3CCOC3)cc12
InChIInChI=1S/C22H21ClFN3O4/c23-16-2-1-3-17(21(16)24)27-22-15-8-19(30-13-4-6-28-10-13)20(9-18(15)25-12-26-22)31-14-5-7-29-11-14/h1-3,8-9,12-14H,4-7,10-11H2,(H,25,26,27)
InChIKeyAQCNXMWPACKDNB-UHFFFAOYSA-N
XLogP4.50
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-2-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 163197476
N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 143534857
6-(4-aminocyclohexyl)oxy-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 25017541
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617
(2R,4S)-4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-methyl-1-(oxan-4-yl)pyrrolidin-1-ium-2-carboxamide
CID 87838643
N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]morpholine-4-carboxamide
CID 58294896
1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-ol
CID 163515553
1-[(3aS,6aR)-5-[4-(3-chloro-2,4-difluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one
CID 118450004
7-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-4-(3-chloro-2-fluoroanilino)quinazolin-6-ol
CID 70801633
[4-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 68908329

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine (CID 24743956) is N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2cc(OC3CCOC3)c(OC3CCOC3)cc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine?
The InChIKey is AQCNXMWPACKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O4/c23-16-2-1-3-17(21(16)24)27-22-15-8-19(30-13-4-6-28-10-13)20(9-18(15)25-12-26-22)31-14-5-7-29-11-14/h1-3,8-9,12-14H,4-7,10-11H2,(H,25,26,27).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine?
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine has a molecular weight of 445.88 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine is sourced from PubChem (CID 24743956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).