4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide

C18H16ClFN4O2 — CID 172995306

IUPAC4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
SMILESCC(C)Oc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(C(N)=O)nc2c1
InChIInChI=1S/C18H16ClFN4O2/c1-9(2)26-11-4-5-12-15(8-11)23-18(16(21)25)24-17(12)22-10-3-6-14(20)13(19)7-10/h3-9H,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyDDINIBFBPARVSM-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.05
Rot. Bonds5

About 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide

4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide (PubChem CID 172995306) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
PubChem CID172995306
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
SMILESCC(C)Oc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(C(N)=O)nc2c1
InChIInChI=1S/C18H16ClFN4O2/c1-9(2)26-11-4-5-12-15(8-11)23-18(16(21)25)24-17(12)22-10-3-6-14(20)13(19)7-10/h3-9H,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyDDINIBFBPARVSM-UHFFFAOYSA-N
XLogP4.05
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
CID 172995354
7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
CID 173085560
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
CID 90980287
4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]quinazoline-2-carboxamide
CID 173158933
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
methyl 2-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propanoate
CID 18967297
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
N-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-2-yl]oxycyclohexyl]morpholine-4-carboxamide
CID 67426574
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide (CID 172995306) is 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide is CC(C)Oc1ccc2c(Nc3ccc(F)c(Cl)c3)nc(C(N)=O)nc2c1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide?
The InChIKey is DDINIBFBPARVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-9(2)26-11-4-5-12-15(8-11)23-18(16(21)25)24-17(12)22-10-3-6-14(20)13(19)7-10/h3-9H,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide?
4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide is sourced from PubChem (CID 172995306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).