N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde

C23H19Cl2FN4O2 — CID 142344379

IUPACN-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
SMILESC=O.C=O.CNc1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl
InChIInChI=1S/C21H15Cl2FN4.2CH2O/c1-25-20-9-13(2-5-16(20)22)12-3-7-19-15(8-12)21(27-11-26-19)28-14-4-6-18(24)17(23)10-14;2*1-2/h2-11,25H,1H3,(H,26,27,28);2*1H2
InChIKeyRZRIZKTZTAJIAC-UHFFFAOYSA-N
MW473.34 g/mol
LogP6.16
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde

N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde (PubChem CID 142344379) has the molecular formula C23H19Cl2FN4O2 and a molecular weight of 473.34 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
PubChem CID142344379
Molecular FormulaC23H19Cl2FN4O2
Molecular Weight473.34 g/mol
Exact Mass472.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
SMILESC=O.C=O.CNc1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl
InChIInChI=1S/C21H15Cl2FN4.2CH2O/c1-25-20-9-13(2-5-16(20)22)12-3-7-19-15(8-12)21(27-11-26-19)28-14-4-6-18(24)17(23)10-14;2*1-2/h2-11,25H,1H3,(H,26,27,28);2*1H2
InChIKeyRZRIZKTZTAJIAC-UHFFFAOYSA-N
XLogP6.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.34
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 158691583
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 121427590
N-[2-chloro-5-[4-(4-fluoro-3-methylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164978282
N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
CID 88532585
N-[[5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]furan-2-yl]methyl]prop-2-enamide
CID 71571615
N-(3-chloro-4-fluorophenyl)-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-4-amine
CID 127045270
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
CID 156755708

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde (CID 142344379) is N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde is C=O.C=O.CNc1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde?
The InChIKey is RZRIZKTZTAJIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN4.2CH2O/c1-25-20-9-13(2-5-16(20)22)12-3-7-19-15(8-12)21(27-11-26-19)28-14-4-6-18(24)17(23)10-14;2*1-2/h2-11,25H,1H3,(H,26,27,28);2*1H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde?
N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde has a molecular weight of 473.34 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde is sourced from PubChem (CID 142344379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).