2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C17H14ClF2N3OS — CID 171561839

IUPAC2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESFC1(F)CC1COc1cccc2c(NCc3cccs3)nc(Cl)nc12
InChIInChI=1S/C17H14ClF2N3OS/c18-16-22-14-12(15(23-16)21-8-11-3-2-6-25-11)4-1-5-13(14)24-9-10-7-17(10,19)20/h1-6,10H,7-9H2,(H,21,22,23)
InChIKeyLEPTYHKTPIEDHB-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.99
Rot. Bonds6

About 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 171561839) has the molecular formula C17H14ClF2N3OS and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID171561839
Molecular FormulaC17H14ClF2N3OS
Molecular Weight381.84 g/mol
Exact Mass381.05
IUPAC Name2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESFC1(F)CC1COc1cccc2c(NCc3cccs3)nc(Cl)nc12
InChIInChI=1S/C17H14ClF2N3OS/c18-16-22-14-12(15(23-16)21-8-11-3-2-6-25-11)4-1-5-13(14)24-9-10-7-17(10,19)20/h1-6,10H,7-9H2,(H,21,22,23)
InChIKeyLEPTYHKTPIEDHB-UHFFFAOYSA-N
XLogP4.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 171561891
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
5-[[2-chloro-4-(1,3-thiazol-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 171561883
4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one
CID 171561938
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2,7-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170643685
6-[(1R,6R)-6-aminocyclohex-3-en-1-yl]-2-chloro-7-iodo-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644224
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
7-bromo-2-chloro-6-cyclohex-3-en-1-yl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644549
6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865848
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 171561839) is 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine is FC1(F)CC1COc1cccc2c(NCc3cccs3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is LEPTYHKTPIEDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3OS/c18-16-22-14-12(15(23-16)21-8-11-3-2-6-25-11)4-1-5-13(14)24-9-10-7-17(10,19)20/h1-6,10H,7-9H2,(H,21,22,23).
What are the key properties of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 381.84 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 171561839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).