N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C20H21N3S — CID 143597699

IUPACN-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(CCc1ccccc1)Nc1ncnc2ccc3c(c12)CCS3
InChIInChI=1S/C20H21N3S/c1-14(7-8-15-5-3-2-4-6-15)23-20-19-16-11-12-24-18(16)10-9-17(19)21-13-22-20/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,21,22,23)
InChIKeyVMDKIODQNMFAOL-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.71
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 143597699) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID143597699
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC NameN-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(CCc1ccccc1)Nc1ncnc2ccc3c(c12)CCS3
InChIInChI=1S/C20H21N3S/c1-14(7-8-15-5-3-2-4-6-15)23-20-19-16-11-12-24-18(16)10-9-17(19)21-13-22-20/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,21,22,23)
InChIKeyVMDKIODQNMFAOL-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
CID 143597708
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 63729500
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692169
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80510445
2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 59345040
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
1-methyl-N-(4-phenylbutan-2-yl)imidazol-2-amine
CID 62133485
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 143597699) is N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is CC(CCc1ccccc1)Nc1ncnc2ccc3c(c12)CCS3.
What is the InChIKey of N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is VMDKIODQNMFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-14(7-8-15-5-3-2-4-6-15)23-20-19-16-11-12-24-18(16)10-9-17(19)21-13-22-20/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,21,22,23).
What are the key properties of N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 335.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 143597699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).